5'-Methylthymidylic Acid 1-Naphthyl Ester
[CAS# 60091-21-6]

Identification

• Name: 5'-Methylthymidylic Acid 1-Naphthyl Ester
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl 1-Naphthyl Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl 1-Naphthyl Hydrogen Phosphate; [(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl 1-Naphthyl Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₁N₂O₈P
• Molecular Weight: 448.37
• CAS Registry Number: 60091-21-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](OC2=C3C(=CC=C2)C=CC=C3)(=O)O)N4C(=O)NC(=O)C(=C4)C
• InChI: 1S/C20H21N2O8P/c1-12-10-22(20(25)21-19(12)24)18-9-15(23)17(29-18)11-28-31(26,27)30-16-8-4-6-13-5-2-3-7-14(13)16/h2-8,10,15,17-18,23H,9,11H2,1H3,(H,26,27)(H,21,24,25)/t15-,17+,18+/m0/s1
• InChIKey: ISOQSBJCFFKLQV-CGTJXYLNSA-N

Properties

• Density: 1.495g/cm³ (Cal.)